Vapor liquid solid-hydride vapor phase epitaxy (VLS-HVPE) growth of ultra-long defect-free GaAs nanowires: <i>Ab initio</i> simulations supporting center nucleation

André, Yves-Bernard; Lekhal, Kaddour; Hoggan, Philip E.; Avit, Geoffrey; Cadiz, Fabian; Rowe, A. C. H.; Paget, D.; Petit, Elodie; Leroux, C.; Trassoudaine, Agnès; Ramdani, M. Réda; Monier, Guillaume; Colas, David; Ajib, Rabih; Castelluci, Dominique; Gil, Evelyne

doi:10.1063/1.4874875

Cited by 11 publications

(11 citation statements)

References 45 publications

(58 reference statements)

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“…Using the recommended value of A = 7 nm –2 s –1 at T ≅ 600 °C of ref , we deduce the diffusion coefficient of As in liquid Ga: D 5 = 2 × 10 –12 m 2 /s at this temperature. Interestingly, this is 3 orders of magnitude smaller than the diffusion coefficient of Ga in liquid Au at T = 715 °C under the assumption of c 3 = 0.2, estimated in ref . Such a huge difference could be only partly due to a higher temperature and/or different metal vehicles and supports our assumption that As is generally a much slower diffuser compared to Ga.…”

Section: Theoretical Analysissupporting

confidence: 80%

Zeldovich Nucleation Rate, Self-Consistency Renormalization, and Crystal Phase of Au-Catalyzed GaAs Nanowires

Dubrovskiı̆

Grecenkov

2014

Crystal Growth & Design

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We present a self-consistent model for the Zeldovich nucleation rate that determines the nucleation probabilities, growth rates and even the preferred crystal structure of Au-catalyzed III-V nanowires fabricated by the vapor-liquid-solid growth method. The obtained expression accounts for the nucleation kinetics in ternary Au-III-V alloys and shows that the nucleation rate in vapor-liquid-solid nanowires is proportional to the As concentration, As diffusion coefficient in the droplet and the activity of solid GaAs. The leading exponential term of the nucleation rate is modified due to the self-consistency renormalization. As a result, the behavior of the effective nucleation barrier versus Ga concentration is changed significantly with respect to the commonly used expression. This strongly affects the values of Ga concentrations during growth which are obtained within the self-consistent approach with the known nanowire elongation rates. In turn, the renormalized nucleation rates change the predictions regarding the zincblende-wurtzite phase transitions in III-V nanowires. In particular, our calculations show why the Aucatalyzed GaAs nanowires grown by molecular beam epitaxy at 550 o C are predominantly wurtzite, while the high temperature hydride vapor phase epitaxy at 715 o C yields pure zincblende crystal structure. We also obtain useful estimates for the As diffusion coefficients in ternary Au-Ga-As liquids at different conditions.

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Section: Theoretical Analysissupporting

confidence: 80%

Zeldovich Nucleation Rate, Self-Consistency Renormalization, and Crystal Phase of Au-Catalyzed GaAs Nanowires

Dubrovskiı̆

Grecenkov

2014

Crystal Growth & Design

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“…In this wide range of temperatures, the atomic interdiffusion between the substrate and the catalyst always serves as an additional supply of gallium and should be favorable for the NW nucleation on GaAs substrates. 7,9,18 The picture becomes different when the VLS growth of GaAs NWs takes place on silicon substrates covered/or not with an oxide layer, which is paramount for monolithic integration of III−V photonics with silicon electronic platform. It has been shown that the presence of an oxide layer at the interface between gold and silicon substrate blocks the interexchange between the two materials.…”

Section: ■ Introductionmentioning

confidence: 99%

“…For example, gold-catalyzed GaAs NWs on GaAs substrates are grown by MBE at temperatures from 400 to 620 °C (ref ), while gold-catalyzed HVPE GaAs NWs are grown at temperatures higher than 700 °C (refs and ). In this wide range of temperatures, the atomic interdiffusion between the substrate and the catalyst always serves as an additional supply of gallium and should be favorable for the NW nucleation on GaAs substrates. ,, …”

Section: Introductionmentioning

confidence: 99%

Influence of Silicon on the Nucleation Rate of GaAs Nanowires on Silicon Substrates

et al. 2018

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Despite the unavoidable presence of silicon atoms in the catalyst alloy droplets during the vapor−liquid−solid growth of III−V nanowires on silicon substrates, it remains unknown how the nucleation of nanowires is affected by these foreign atoms. In this work, we present the first attempt to quantify the nanowire nucleation rate versus the silicon concentration in the droplet. We calculate the chemical potential difference per Ga−As pair in the quaternary Au−Ga−As−Si liquid alloy droplet and in solid state, and compare it to the ternary Au−Ga−As droplet without silicon. This allows us to compute the nucleation rates of GaAs nanowires versus the silicon concentration under different conditions. We find that the presence of silicon in the droplet decreases the nucleation probability of GaAs nanowires for gallium-rich droplets (with the gallium contents c GA greater than 0.6) and increases it for goldrich droplets (c GA < 0.6). The model is used to explain our experimental data for hydride vapor phase epitaxy of gold-catalyzed GaAs nanowires, which easily nucleate on Si(111) covered with different SiO 2 layers but do not grow on the bare Si(111). In the latter case, more silicon is etched from the substrate and enters the gallium-rich droplets, which suppresses the nanowire nucleation. We discuss other relevant data, including the known difficulties in obtaining self-assisted GaAs NWs on silicon by chemical epitaxy techniques. These results may be useful for the fine-tuning of III−V nanowire properties and integrating them with silicon electronics.

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“…For Au-assisted VLS growth of GaAs NWs on GaAs substrates, MBE [106][107][108] and MOVPE [109,110] operate at temperatures ranging from 400 to 620°C. HVPE GaAs NWs are grown at temperatures higher than 700 o C. In this wide range of temperatures, the atomic interdiffusion between the substrate and the catalyst always serves as an additional supply of gallium and should be favorable for the NW nucleation on GaAs substrates [106,88].…”

Section: Iii1 Introductionmentioning

confidence: 99%

Growth of long III-As NWs by hydride vapor phase epitaxy

Gil¹,

André²

2021

Nanotechnology

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Introduction I. Thermodynamics and kinetics of HVPE growth II. GaAs NWs grown by Au-catalysed VLS-HVPE II.1. Brief recall of the issues of early growth experiments of GaAs NWs II.2. Long untapered rodlike cubic GaAs NWs II.3. The polytypism issue in GaAs NWs with diameter less than 10 nm III. Integration of GaAs NWs on silicon substrate III.1. Introduction III.2. Au-catalysed VLS-HVPE of GaAs NWs on Si: the nucleation issue III.3. Au-catalysed VLS growth of GaAs:Si NWs on Si: the doping issue IV. Self-catalysed growth of GaAs and InAs NWs on silicon substrate IV.1. Thermodynamic conditions to form Ga and In liquid droplets from chloride gaseous molecules IV.2. Self-catalysed growth of GaAs NWs on Si IV.3. Growth of InAs NWs on Si Summary Abbreviation: nanowire=NW; nanowires=NWs; vapor liquid solid=VLS; vapor solid=VS.

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Vapor liquid solid-hydride vapor phase epitaxy (VLS-HVPE) growth of ultra-long defect-free GaAs nanowires: Ab initio simulations supporting center nucleation

Cited by 11 publications

References 45 publications

Zeldovich Nucleation Rate, Self-Consistency Renormalization, and Crystal Phase of Au-Catalyzed GaAs Nanowires

Zeldovich Nucleation Rate, Self-Consistency Renormalization, and Crystal Phase of Au-Catalyzed GaAs Nanowires

Influence of Silicon on the Nucleation Rate of GaAs Nanowires on Silicon Substrates

Growth of long III-As NWs by hydride vapor phase epitaxy

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